7-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]-5,6-dihydroindole

C21H23FN2 — CID 141003469

IUPAC7-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]-5,6-dihydroindole
SMILESFc1ccc(CCN2CCC(=C3CCC=C4C=CN=C43)CC2)cc1
InChIInChI=1S/C21H23FN2/c22-19-6-4-16(5-7-19)9-13-24-14-10-17(11-15-24)20-3-1-2-18-8-12-23-21(18)20/h2,4-8,12H,1,3,9-11,13-15H2
InChIKeyONRIYKZBAOPBSQ-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.45
Rot. Bonds3

About 7-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]-5,6-dihydroindole

7-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]-5,6-dihydroindole (PubChem CID 141003469) has the molecular formula C21H23FN2 and a molecular weight of 322.43 g/mol. Its IUPAC name is 7-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]-5,6-dihydroindole.

Molecular Properties

Compound Name7-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]-5,6-dihydroindole
PubChem CID141003469
Molecular FormulaC21H23FN2
Molecular Weight322.43 g/mol
Exact Mass322.18
IUPAC Name7-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]-5,6-dihydroindole
SMILESFc1ccc(CCN2CCC(=C3CCC=C4C=CN=C43)CC2)cc1
InChIInChI=1S/C21H23FN2/c22-19-6-4-16(5-7-19)9-13-24-14-10-17(11-15-24)20-3-1-2-18-8-12-23-21(18)20/h2,4-8,12H,1,3,9-11,13-15H2
InChIKeyONRIYKZBAOPBSQ-UHFFFAOYSA-N
XLogP4.45
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]-5,6-dihydroindole?
The IUPAC name of 7-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]-5,6-dihydroindole (CID 141003469) is 7-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]-5,6-dihydroindole.
What is the SMILES notation for 7-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]-5,6-dihydroindole?
The canonical SMILES for 7-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]-5,6-dihydroindole is Fc1ccc(CCN2CCC(=C3CCC=C4C=CN=C43)CC2)cc1.
What is the InChIKey of 7-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]-5,6-dihydroindole?
The InChIKey is ONRIYKZBAOPBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2/c22-19-6-4-16(5-7-19)9-13-24-14-10-17(11-15-24)20-3-1-2-18-8-12-23-21(18)20/h2,4-8,12H,1,3,9-11,13-15H2.
What are the key properties of 7-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]-5,6-dihydroindole?
7-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]-5,6-dihydroindole has a molecular weight of 322.43 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]-5,6-dihydroindole is sourced from PubChem (CID 141003469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).